COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK578932
Chemical Name: (4E)-2-(3-methoxyphenyl)-4-{[(3-methylbutyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: COc1cccc(c1)N1C(=O)/C(=C/NCCC(C)C)/c2c(C1=O)cccc2

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Molecular Weight: 364.44
Empirical Formula: C22H24N2O3

Physical State: Dry powder
Available Amount: 298 mg

Lipinsky:
logP: 4.344
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 58
Number of rings: 3

     

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